SCHEMBL15744844

SCHEMBL15744844

CCCC1CCC(C2CCC(COc3cc(F)c(C(F)(F)OC(F)(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.35
PARP10 Q53GL7 2/20 0.33
PARP15 Q460N3 1/20 0.33
PDK2 Q15119 1/20 0.31
PARP14 Q460N5 1/20 0.31
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
FFAR1 O14842 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7910474 0.87 SCN9A (0.37) SCN9APARP10PARP15PDK2PDE2A
SCHEMBL7910476 0.87 SCN9A (0.37) SCN9APARP10PARP15PDK2PDE2A
SCHEMBL7910473 0.87 SCN9A (0.37) SCN9APARP10PARP15PDK2PDE2A
SCHEMBL13002739 0.87 SCN9A (0.37) SCN9APARP10PARP15PDK2PDE2A
SCHEMBL15744373 0.85 FFAR4 (0.38) SCN9APARP10PARP15PDK2FFAR1
SCHEMBL15745001 0.84 PDK2 (0.39) SCN9APARP10PARP15PDK2FFAR1
SCHEMBL15744384 0.83
SCHEMBL15745005 0.83
SCHEMBL9110646 0.83 PARP10 (0.37) SCN9APARP10PARP15PDK2PARP14
SCHEMBL13002666 0.83 SCN9A (0.39) SCN9APARP10PARP15PDK2PDE2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
US-20140145113-A1 LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-29 US disclosed
US-20140145113-A1 LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-29 US disclosed